Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S95RZH8AMH

Structure

InChI Key USSIQXCVUWKGNF-KRWDZBQOSA-N
Smile CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO
Molecular Weight 309.45
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEBI 167308
ChEMBL CHEMBL350719
DrugBank DB15198
FDA SRS S95RZH8AMH
PubChem 643985
SureChEMBL SCHEMBL24294
ZINC ZINC000001530707